7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol

C69H73F2N15O2 — CID 157216527

IUPAC7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol
SMILESC#Cc1cnn2c(-c3cc(NC4CC(C)(O)C4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCOC4)c(C(C)C)cn3)ccc2c1.CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C26H27F2N7.C22H24N4O.C21H22N4O/c1-16(2)22-14-30-24(25-8-7-21-9-17(11-29)12-32-35(21)25)10-23(22)33-20-5-3-18(4-6-20)19-13-31-34(15-19)26(27)28;1-5-15-8-17-6-7-21(26(17)24-12-15)20-9-19(18(13-23-20)14(2)3)25-16-10-22(4,27)11-16;1-4-15-9-17-5-6-21(25(17)23-11-15)20-10-19(18(12-22-20)14(2)3)24-16-7-8-26-13-16/h7-10,12-16,18,20,26H,3-6H2,1-2H3,(H,30,33);1,6-9,12-14,16,27H,10-11H2,2-4H3,(H,23,25);1,5-6,9-12,14,16H,7-8,13H2,2-3H3,(H,22,24)
InChIKeyASMGYXKXDOLCCZ-UHFFFAOYSA-N
MW1182.44 g/mol
LogP13.65
Rot. Bonds14

About 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol

7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol (PubChem CID 157216527) has the molecular formula C69H73F2N15O2 and a molecular weight of 1182.44 g/mol. Its IUPAC name is 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol
PubChem CID157216527
Molecular FormulaC69H73F2N15O2
Molecular Weight1182.44 g/mol
Exact Mass1181.60
IUPAC Name7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol
SMILESC#Cc1cnn2c(-c3cc(NC4CC(C)(O)C4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCOC4)c(C(C)C)cn3)ccc2c1.CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C26H27F2N7.C22H24N4O.C21H22N4O/c1-16(2)22-14-30-24(25-8-7-21-9-17(11-29)12-32-35(21)25)10-23(22)33-20-5-3-18(4-6-20)19-13-31-34(15-19)26(27)28;1-5-15-8-17-6-7-21(26(17)24-12-15)20-9-19(18(13-23-20)14(2)3)25-16-10-22(4,27)11-16;1-4-15-9-17-5-6-21(25(17)23-11-15)20-10-19(18(12-22-20)14(2)3)24-16-7-8-26-13-16/h7-10,12-16,18,20,26H,3-6H2,1-2H3,(H,30,33);1,6-9,12-14,16,27H,10-11H2,2-4H3,(H,23,25);1,5-6,9-12,14,16H,7-8,13H2,2-3H3,(H,22,24)
InChIKeyASMGYXKXDOLCCZ-UHFFFAOYSA-N
XLogP13.65
TPSA197.73 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.44
LogP ≤ 513.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-4-propan-2-ylpyrazole;5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;2,6-dimethyl-4-(6-propan-2-yl-3-pyridinyl)morpholine;1-ethyl-4-propan-2-ylpyrazole;5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-ylpyridine;5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazine;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2-(4-propan-2-ylpyrazol-1-yl)ethanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 160035982
4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
CID 160896947
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3R)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
CID 157989937
7-[5-bromo-4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-[5-bromo-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 158797499
4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 159480805
2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N,5-di(propan-2-yl)pyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(4-methyloxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(3-methyloxetan-3-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxan-4-yl)-5-propan-2-ylpyridin-4-amine;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxetan-3-yl)-5-propan-2-ylpyridin-4-amine;methyl 2-[4-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]cyclohexyl]acetate
CID 159850172
potassium;(3R)-4-azido-3-fluoro-2-methylbutan-2-ol;hydride;iodocopper;4-iodomorpholine;methyl N-[[3-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-ethynyl-4-pyridinyl]amino]cyclobutyl]methyl]carbamate;methyl N-[[3-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[5-fluoro-1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]triazol-4-yl]-4-pyridinyl]amino]cyclobutyl]methyl]carbamate;methyl N-[[3-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[1-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5-iodotriazol-4-yl]-4-pyridinyl]amino]cyclobutyl]methyl]carbamate;methyl N-[[3-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-(2-iodoethynyl)-4-pyridinyl]amino]cyclobutyl]methyl]carbamate;molecular fluorine;hydroiodide
CID 160299560
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine;N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-[(3S)-oxolan-3-yl]pyrazolo[4,3-b]pyridin-7-amine
CID 160606577
(2R)-2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;2-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]morpholine;4-[[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]methyl]oxan-4-ol
CID 161677940
4-[1-(cyclohexylmethyl)-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-5-[3-methanimidoyl-4-(methylamino)phenyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-[3-methanimidoyl-4-(methylamino)phenyl]-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[3-(1-methylindazol-5-yl)-7H-cyclopenta[c]pyridin-4-yl]benzonitrile
CID 163780962
7-[5-bromo-4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-[5-bromo-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-[5-bromo-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 164990824
7-[5-bromo-4-[[(1S,3R)-3-hydroxycyclohexyl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-[5-bromo-4-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-[5-bromo-4-[[4-(1-propan-2-ylpyrazol-4-yl)cyclohexyl]amino]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 167576092

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol?
The IUPAC name of 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol (CID 157216527) is 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol is C#Cc1cnn2c(-c3cc(NC4CC(C)(O)C4)c(C(C)C)cn3)ccc2c1.C#Cc1cnn2c(-c3cc(NC4CCOC4)c(C(C)C)cn3)ccc2c1.CC(C)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCC(c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol?
The InChIKey is ASMGYXKXDOLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7.C22H24N4O.C21H22N4O/c1-16(2)22-14-30-24(25-8-7-21-9-17(11-29)12-32-35(21)25)10-23(22)33-20-5-3-18(4-6-20)19-13-31-34(15-19)26(27)28;1-5-15-8-17-6-7-21(26(17)24-12-15)20-9-19(18(13-23-20)14(2)3)25-16-10-22(4,27)11-16;1-4-15-9-17-5-6-21(25(17)23-11-15)20-10-19(18(12-22-20)14(2)3)24-16-7-8-26-13-16/h7-10,12-16,18,20,26H,3-6H2,1-2H3,(H,30,33);1,6-9,12-14,16,27H,10-11H2,2-4H3,(H,23,25);1,5-6,9-12,14,16H,7-8,13H2,2-3H3,(H,22,24).
What are the key properties of 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol?
7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol has a molecular weight of 1182.44 g/mol, XLogP of 13.65, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]amino]-5-propan-2-yl-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-N-(oxolan-3-yl)-5-propan-2-ylpyridin-4-amine;3-[[2-(3-ethynylpyrrolo[1,2-b]pyridazin-7-yl)-5-propan-2-yl-4-pyridinyl]amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 157216527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).